5O1D
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![BU of 5o1d by Molmil](/molmil-images/mine/5o1d) | p53 cancer mutant Y220C in complex with compound MB481 | 分子名称: | 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1C
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![BU of 5o1c by Molmil](/molmil-images/mine/5o1c) | p53 cancer mutant Y220C in complex with compound MB184 | 分子名称: | 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1I
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![BU of 5o1i by Molmil](/molmil-images/mine/5o1i) | p53 cancer mutant Y220C in complex with compound MB710 | 分子名称: | 1,2-ETHANEDIOL, 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid, Cellular tumor antigen p53, ... | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1F
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![BU of 5o1f by Molmil](/molmil-images/mine/5o1f) | p53 cancer mutant Y220C in complex with compound MB582 | 分子名称: | 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1B
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![BU of 5o1b by Molmil](/molmil-images/mine/5o1b) | p53 cancer mutant Y220C in complex with compound MB84 | 分子名称: | 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1A
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![BU of 5o1a by Molmil](/molmil-images/mine/5o1a) | p53 cancer mutant Y220C in complex with compound MB240 | 分子名称: | Cellular tumor antigen p53, GLYCEROL, ZINC ION, ... | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1H
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![BU of 5o1h by Molmil](/molmil-images/mine/5o1h) | p53 cancer mutant Y220C in complex with compound MB539 | 分子名称: | 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1G
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![BU of 5o1g by Molmil](/molmil-images/mine/5o1g) | p53 cancer mutant Y220C in complex with compound MB487 | 分子名称: | 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5O1E
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![BU of 5o1e by Molmil](/molmil-images/mine/5o1e) | p53 cancer mutant Y220C im complex with compound MB577 | 分子名称: | 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | 登録日 | 2017-05-18 | 公開日 | 2018-05-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem, 152, 2018
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5AOJ
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![BU of 5aoj by Molmil](/molmil-images/mine/5aoj) | Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid | 分子名称: | 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... | 著者 | Joerger, A.C, Baud, M.G, Bauer, M.R, Fersht, A.R. | 登録日 | 2015-09-10 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
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8CG7
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![BU of 8cg7 by Molmil](/molmil-images/mine/8cg7) | Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277 | 分子名称: | 1,2-ETHANEDIOL, 5-iodanyl-2-methylsulfonyl-pyrimidine, Cellular tumor antigen p53, ... | 著者 | Balourdas, D.I, Pichon, M.M, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-02-03 | 公開日 | 2023-12-13 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation. Bioconjug.Chem., 34, 2023
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5G4O
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![BU of 5g4o by Molmil](/molmil-images/mine/5g4o) | Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 | 分子名称: | CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION | 著者 | Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J. | 登録日 | 2016-05-13 | 公開日 | 2016-06-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs. Acs Chem.Biol., 11, 2016
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8A31
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![BU of 8a31 by Molmil](/molmil-images/mine/8a31) | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | 分子名称: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2022-06-06 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
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8A32
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![BU of 8a32 by Molmil](/molmil-images/mine/8a32) | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | 分子名称: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | 著者 | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2022-06-06 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
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4QEU
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![BU of 4qeu by Molmil](/molmil-images/mine/4qeu) | Crystal structure of BRD2(BD2) mutant in free form | 分子名称: | ACETATE ION, Bromodomain-containing protein 2, GLYCEROL | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | 登録日 | 2014-05-19 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes. Science, 346, 2014
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4QEW
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![BU of 4qew by Molmil](/molmil-images/mine/4qew) | Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | 登録日 | 2014-05-19 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes. Science, 346, 2014
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4QEV
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![BU of 4qev by Molmil](/molmil-images/mine/4qev) | Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | 登録日 | 2014-05-19 | 公開日 | 2014-10-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes. Science, 346, 2014
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5DFD
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![BU of 5dfd by Molmil](/molmil-images/mine/5dfd) | Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | 登録日 | 2015-08-26 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5DFC
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![BU of 5dfc by Molmil](/molmil-images/mine/5dfc) | Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound | 分子名称: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ... | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | 登録日 | 2015-08-26 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5DFB
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![BU of 5dfb by Molmil](/molmil-images/mine/5dfb) | Crystal structure of BRD2(BD2) mutant W370F in the free form | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | 登録日 | 2015-08-26 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5LI3
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![BU of 5li3 by Molmil](/molmil-images/mine/5li3) | Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor. | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, Acetoin utilization protein, POTASSIUM ION, ... | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | 登録日 | 2016-07-14 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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5G1C
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![BU of 5g1c by Molmil](/molmil-images/mine/5g1c) | Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395 | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | 登録日 | 2016-03-24 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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5G3W
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![BU of 5g3w by Molmil](/molmil-images/mine/5g3w) | Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65 | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | 登録日 | 2016-05-02 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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4BKT
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![BU of 4bkt by Molmil](/molmil-images/mine/4bkt) | von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | 分子名称: | (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ARGININE, GLUTAMIC ACID, ... | 著者 | Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A. | 登録日 | 2013-04-29 | 公開日 | 2013-11-27 | 最終更新日 | 2017-07-12 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions? Acs Med.Chem.Lett., 5, 2014
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4BKS
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![BU of 4bks by Molmil](/molmil-images/mine/4bks) | von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | 分子名称: | (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | 著者 | Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A. | 登録日 | 2013-04-29 | 公開日 | 2013-11-27 | 最終更新日 | 2014-01-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions? Acs Med.Chem.Lett., 5, 2014
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